|
| |
Results of LDFA of the example data set are shown in Table 1.2. The success rate was found to be 98% using cross-validation
(also known as leave-one-out) (Mertens et
al. 1994).
|
|
Organic Vapour
|
|
|
hexane
|
propan-2-ol
|
triethyl-amine
|
acetone
|
chloro-form
|
diethyl-ether
|
Toluene
|
propan-1-ol
|
2-butanone
|
ethanol
|
acetonitrile
|
methanol
|
butyl-acetate
|
|
Hexane
|
5
|
0
|
0
|
0
|
0
|
0
|
0
|
0
|
0
|
0
|
0
|
0
|
0
|
|
propan-2-ol
|
0
|
5
|
0
|
0
|
0
|
0
|
0
|
0
|
0
|
0
|
0
|
0
|
0
|
|
Triethylamine
|
0
|
0
|
5
|
0
|
0
|
0
|
0
|
0
|
0
|
0
|
0
|
0
|
0
|
|
Acetone
|
0
|
0
|
0
|
5
|
0
|
0
|
0
|
0
|
0
|
0
|
0
|
0
|
0
|
|
Chloroform
|
0
|
0
|
0
|
0
|
5
|
0
|
0
|
0
|
0
|
0
|
0
|
0
|
0
|
|
Diethylether
|
0
|
0
|
0
|
0
|
0
|
4
|
0
|
0
|
0
|
0
|
0
|
0
|
0
|
|
Toluene
|
0
|
0
|
0
|
0
|
0
|
1
|
5
|
0
|
0
|
0
|
0
|
0
|
0
|
|
propan-1-ol
|
0
|
0
|
0
|
0
|
0
|
0
|
0
|
5
|
0
|
0
|
0
|
0
|
0
|
|
2-butanone
|
0
|
0
|
0
|
0
|
0
|
0
|
0
|
0
|
5
|
0
|
0
|
0
|
0
|
|
Ethanol
|
0
|
0
|
0
|
0
|
0
|
0
|
0
|
0
|
0
|
5
|
0
|
0
|
0
|
|
Acetonitrile
|
0
|
0
|
0
|
0
|
0
|
0
|
0
|
0
|
0
|
0
|
5
|
0
|
0
|
|
Methanol
|
0
|
0
|
0
|
0
|
0
|
0
|
0
|
0
|
0
|
0
|
0
|
5
|
0
|
|
Butylacetate
|
0
|
0
|
0
|
0
|
0
|
0
|
0
|
0
|
0
|
0
|
0
|
5
|
5
|
|
Total No.
|
5
|
5
|
5
|
5
|
5
|
5
|
5
|
5
|
5
|
5
|
5
|
5
|
5
|
|
No. correct
|
5
|
5
|
5
|
5
|
5
|
4
|
5
|
5
|
5
|
5
|
5
|
5
|
5
|
|
% correct
|
100
|
100
|
100
|
100
|
|
